5AEB
Crystal structure of the class B3 di-zinc metallo-beta-lactamase LRA- 12 from an Alaskan soil metagenome.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.148, 80.616, 78.288 |
| Unit cell angles | 90.00, 98.83, 90.00 |
Refinement procedure
| Resolution | 42.930 - 2.100 |
| R-factor | 0.18707 |
| Rwork | 0.184 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1JT1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.590 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.490 |
| Number of reflections | 33531 | |
| <I/σ(I)> | 7.2 | 3.3 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% PEG 3350, 0.1M TRIS (PH 8.5), 0.2 M AMMONIUM SULFATE |
